[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine

C7H8N4 — CID 2466755

IUPAC[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine
SMILESNCc1nnc2ccccn12
InChIInChI=1S/C7H8N4/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-4H,5,8H2
InChIKeyNXNFOXNYOMPDMW-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.19
Rot. Bonds1

About [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine

[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine (PubChem CID 2466755) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine
PubChem CID2466755
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine
SMILESNCc1nnc2ccccn12
InChIInChI=1S/C7H8N4/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-4H,5,8H2
InChIKeyNXNFOXNYOMPDMW-UHFFFAOYSA-N
XLogP0.19
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine (CID 2466755) is [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine is NCc1nnc2ccccn12.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine?
The InChIKey is NXNFOXNYOMPDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-4H,5,8H2.
What are the key properties of [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine?
[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine has a molecular weight of 148.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine is sourced from PubChem (CID 2466755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).